7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one

C11H9NO4 — CID 135576755

IUPAC7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
SMILESC/C(=N\O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C11H9NO4/c1-6(12-15)9-4-7-2-3-8(13)5-10(7)16-11(9)14/h2-5,13,15H,1H3/b12-6+
InChIKeySCOQMKWOBFRDBR-WUXMJOGZSA-N
MW219.20 g/mol
LogP1.70
Rot. Bonds1

About 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one

7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one (PubChem CID 135576755) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
PubChem CID135576755
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
SMILESC/C(=N\O)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C11H9NO4/c1-6(12-15)9-4-7-2-3-8(13)5-10(7)16-11(9)14/h2-5,13,15H,1H3/b12-6+
InChIKeySCOQMKWOBFRDBR-WUXMJOGZSA-N
XLogP1.70
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 5417935
3-(2-bromoacetyl)-7-hydroxychromen-2-one
CID 6157272
3-amino-7-hydroxychromen-2-one;ethane
CID 145140351
7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
CID 19074026
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide
CID 146244908
6-hexyl-7-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
CID 135486486
6-hexyl-7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135613754
7-hydroxy-3-methylsulfonylchromen-2-one
CID 19840686
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
3-acetyl-7-hydroxychromen-2-one;7-hydroxy-N-[(2S)-2-(methylamino)-3-oxobutyl]-2-oxochromene-3-carboxamide
CID 161031650
7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11703726

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
The IUPAC name of 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one (CID 135576755) is 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one is C/C(=N\O)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
The InChIKey is SCOQMKWOBFRDBR-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H9NO4/c1-6(12-15)9-4-7-2-3-8(13)5-10(7)16-11(9)14/h2-5,13,15H,1H3/b12-6+.
What are the key properties of 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one?
7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one has a molecular weight of 219.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one is sourced from PubChem (CID 135576755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).